<?xml version="1.0"?>
<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" id="InChIKey=QZUDBNBUXVUHMW-UHFFFAOYSA-N" version="0.1">
  <cvList count="2">
    <cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="2.26.0" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
    <cv id="UO" fullName="Unit Ontology" version="14:07:2009" URI="http://obo.cvs.sourceforge.net/*checkout*/obo/obo/ontology/phenotype/unit.obo"/>
  </cvList>
  <fileDescription>
    <fileContent>
      <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
    </fileContent>
    <sourceFileList count="1">
      <sourceFile id="_CHEM002181-high.txt" name="CHEM002181-high.txt" location="http://t3db.cahttp://moldb.wishartlab.com/system/documents/files/000/178/475/original/CHEM002181-high.txt?1470258245">
        <cvParam cvRef="MS" accession="MS:1001369" name="text file" value=""/>
      </sourceFile>
    </sourceFileList>
    <contact>
      <cvParam cvRef="MS" accession="MS:1000586" name="contact name" value="David Wishart"/>
      <cvParam cvRef="MS" accession="MS:1000590" name="contact organization" value="University of Alberta"/>
      <cvParam cvRef="MS" accession="MS:1000587" name="contact address" value="University of Alberta, Edmonton, Alberta, Canada, T6G 2E8"/>
      <cvParam cvRef="MS" accession="MS:1000588" name="contact URL" value="http://wishartlab.com"/>
      <cvParam cvRef="MS" accession="MS:1000589" name="contact email" value="david.wishart@ualberta.ca"/>
    </contact>
  </fileDescription>
  <softwareList count="1">
    <software id="SpecDB" version="0.1">
      <cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="SpecDB Spectra management database"/>
    </software>
  </softwareList>
  <instrumentConfigurationList count="1">
    <instrumentConfiguration id="instrument">
      <cvParam cvRef="MS" accession="MS:1000031" name="instrument model" value=""/>
    </instrumentConfiguration>
  </instrumentConfigurationList>
  <dataProcessingList count="1">
    <dataProcessing id="SpecDB_processing">
      <processingMethod order="1" softwareRef="SpecDB">
        <cvParam cvRef="MS" accession="MS:1000544" name="Conversion to mzML" value=""/>
      </processingMethod>
    </dataProcessing>
  </dataProcessingList>
  <run id="run_1" defaultInstrumentConfigurationRef="instrument" defaultSourceFileRef="_CHEM002181-high.txt">
    <spectrumList count="1" defaultDataProcessingRef="SpecDB_processing">
      <spectrum id="file=_CHEM002181-high.txt" index="0" defaultArrayLength="31">
        <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>
        <cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value=""/>
        <binaryDataArrayList count="2">
          <binaryDataArray encodedLength="338" dataProcessingRef="SpecDB_processing">
            <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
            <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
            <cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
            <binary>LVmZGcsEPEDYFhpfZgRFQCJwRd7JgUpA2BYaX2YES0CKB1IxZwZMQOW4zwE0
hFFA5F2BKubDVEBdC8T85sVYQJTzaiWZBV9ACT68nTNgYUAq8jUV8+FnQOZn
2UlzImhA9LNHXkxCa0DFs1/SsyBsQJt5zQY0YWxAqcU7Gw0BbkBkO99PjUFu
QKnFOxsNgW9AZDvfT43Bb0C1gBoI01FwQIwVNZgmYnBAkjtsIhNycEB+HqM8
U5JwQLKd76fGoHBAnYAmwgbBcEB7O3jcRuFwQH4eozxTEnJAbUTmgHORckBL
/zebs7FyQG1E5oBzUXNAbUTmgHNRc0A=
</binary>
          </binaryDataArray>
          <binaryDataArray encodedLength="338" dataProcessingRef="SpecDB_processing">
            <cvParam cvRef="MS" accession="MS:1000523" name="64-bit float" value=""/>
            <cvParam cvRef="MS" accession="MS:1000576" name="no compression" value=""/>
            <cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts"/>
            <binary>BtO+JlyVAEC4BpU8x5snQBeIm9y6VgBAHR0iMeus+j8lQ4GDZdD5P1ZOjy61
/Pg/WGj0Xg1QBUA61dsYm9sHQA8vVVeoRxJA2whUlz2pBUAWC4i4VaoJQBhq
DdjnJwFAIlf5hD3U9z96qrp8KPkTQJRVjTWOLvs/xNQ4ycahGED9/iOMzJEQ
QKJuP5eraglAgcDuZ71LA0D/sTudXvP5P33DCtiKffo/X/QfFo3ADkAmSAdM
Kb8RQAhc+VoHqwFAf5xCRPA3FUCHLaDEpZYQQBEmdoFT/gVAgBz1WWPt+j/d
ml2/rJUKQAHeWAlDpA1AFaaUfJGxAUA=
</binary>
          </binaryDataArray>
        </binaryDataArrayList>
      </spectrum>
    </spectrumList>
  </run>
</mzML>
